N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

C20H24ClFN4O3S — CID 3280480

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)ccc1Cl
InChIInChI=1S/C20H24ClFN4O3S/c1-24(2)30(28,29)19-13-15(7-8-16(19)21)23-20(27)14-25-9-11-26(12-10-25)18-6-4-3-5-17(18)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyOGZRPDGSIUOXED-UHFFFAOYSA-N
MW454.96 g/mol
LogP2.49
Rot. Bonds6

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 3280480) has the molecular formula C20H24ClFN4O3S and a molecular weight of 454.96 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID3280480
Molecular FormulaC20H24ClFN4O3S
Molecular Weight454.96 g/mol
Exact Mass454.12
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)ccc1Cl
InChIInChI=1S/C20H24ClFN4O3S/c1-24(2)30(28,29)19-13-15(7-8-16(19)21)23-20(27)14-25-9-11-26(12-10-25)18-6-4-3-5-17(18)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyOGZRPDGSIUOXED-UHFFFAOYSA-N
XLogP2.49
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 3280480) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is OGZRPDGSIUOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O3S/c1-24(2)30(28,29)19-13-15(7-8-16(19)21)23-20(27)14-25-9-11-26(12-10-25)18-6-4-3-5-17(18)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 454.96 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3280480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).